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SMILES: CC1(C)NC(=O)N(CCn2ccnc2)C1=O

InChI Key: InChIKey=USNUJZRMQSHBOW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248830   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50248830
PNG
(CHEMBL4089583)
Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O
Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
6.32E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...


Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
BindingDB Entry DOI: 10.7270/Q2HM5BW5
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50248830
PNG
(CHEMBL4089583)
Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O
Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4.62E+6n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...


Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
BindingDB Entry DOI: 10.7270/Q2HM5BW5
More data for this
Ligand-Target Pair